Information card for entry 4102160

Structure parameters

• Formula: C17 H24 N2 O2
• Calculated formula: C17 H24 N2 O2
• SMILES: OC[C@@H]1[C@H]2N(N(C(=O)c3ccccc3)C1)CCCC2(C)C
• Title of publication: Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes
• Authors of publication: Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4076 - 4077
• a: 6.10829 ± 0.00012 Å
• b: 7.5097 ± 0.00015 Å
• c: 17.8862 ± 0.0003 Å
• α: 90°
• β: 93.2667 ± 0.0012°
• γ: 90°
• Cell volume: 819.13 ± 0.03 ų
• Cell temperature: 143.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No